2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O2S/c1-13-6-7-16-17(10-13)27-21(19(16)20(22)26)23-18(25)12-24-9-8-14-4-2-3-5-15(14)11-24/h2-5,13H,6-12H2,1H3,(H2,22,26)(H,23,25)